SCHEMBL16210864

SCHEMBL16210864

Cc1ccc(OCc2ccc(Br)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
SMPD1 P17405 1/20 0.47
MAOB P27338 3/20 0.46
CCR5 P51681 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26434787 0.90 MRGPRX4 (0.58) MRGPRX4NPC1RAB9AMAPTALDH1A1
SCHEMBL15588794 0.87 MRGPRX4 (0.56) MRGPRX4NPC1RAB9AMAPTALDH1A1
SCHEMBL5275479 0.83 SMN1; SMN2 (0.49) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL171841 0.83 MRGPRX4 (0.68) MRGPRX4MAPTMAOBSMN1; SMN2HTT
SCHEMBL16210326 0.81 CCR5 (0.45) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL257777 0.81 MRGPRX4 (0.57) MRGPRX4LMNAHTT
SCHEMBL19374625 0.80 MRGPRX4 (0.50) MRGPRX4RAB9AMAPTALDH1A1RECQL
SCHEMBL16210297 0.80 MRGPRX4 (0.53) MRGPRX4NPC1RAB9AMAPTALDH1A1
SCHEMBL26698908 0.80 MRGPRX4 (0.56) MRGPRX4NPC1RAB9AMAPTLMNA
SCHEMBL29227167 0.77 LMNA (0.58) NPC1RAB9AMAPTALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE INF2, CFL1, CFD MRGPRX4 2277/4885NPC1 1856/4885RAB9A 899/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.